1-(2,4-dimethylphenyl)sulfinyl-N-ethyl-3-methoxypropan-2-amine

C14H23NO2S — CID 107508721

IUPAC1-(2,4-dimethylphenyl)sulfinyl-N-ethyl-3-methoxypropan-2-amine
SMILESCCNC(COC)CS(=O)c1ccc(C)cc1C
InChIInChI=1S/C14H23NO2S/c1-5-15-13(9-17-4)10-18(16)14-7-6-11(2)8-12(14)3/h6-8,13,15H,5,9-10H2,1-4H3
InChIKeyYVIZBTARXYXISC-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.04
Rot. Bonds7

About 1-(2,4-dimethylphenyl)sulfinyl-N-ethyl-3-methoxypropan-2-amine

1-(2,4-dimethylphenyl)sulfinyl-N-ethyl-3-methoxypropan-2-amine (PubChem CID 107508721) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)sulfinyl-N-ethyl-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)sulfinyl-N-ethyl-3-methoxypropan-2-amine
PubChem CID107508721
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name1-(2,4-dimethylphenyl)sulfinyl-N-ethyl-3-methoxypropan-2-amine
SMILESCCNC(COC)CS(=O)c1ccc(C)cc1C
InChIInChI=1S/C14H23NO2S/c1-5-15-13(9-17-4)10-18(16)14-7-6-11(2)8-12(14)3/h6-8,13,15H,5,9-10H2,1-4H3
InChIKeyYVIZBTARXYXISC-UHFFFAOYSA-N
XLogP2.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinyl-N-ethylethanamine
CID 64660071
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)-N-ethyl-3-methoxypropan-2-amine
CID 107508873
3-(2,4-dimethylphenyl)sulfinyl-N-(2-methoxyethyl)propan-1-amine
CID 64657925
1-methoxy-N-methyl-3-(4-methylphenyl)sulfinylpropan-2-amine
CID 107508710
1-benzylsulfinyl-N-ethyl-3-methoxypropan-2-amine
CID 107508742
N-ethyl-1-methoxy-3-(4-methylphenoxy)propan-2-amine
CID 107506620
N-ethyl-1-(4-methylphenyl)sulfinylbutan-2-amine
CID 64659057
1-(2,5-dimethylphenyl)sulfinyl-N-methylbutan-2-amine
CID 64659088
4-(3,5-dimethylphenyl)-N-ethyl-1-methoxybutan-2-amine
CID 62318913
3-(2,4-dimethylphenyl)sulfinyl-N-propan-2-ylpropan-1-amine
CID 64658901
1-(2-tert-butyl-5-methylphenoxy)-N-ethyl-3-methoxypropan-2-amine
CID 107506741
1-(2,5-dimethylphenyl)sulfinyl-N-methylpentan-2-amine
CID 64657721

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)sulfinyl-N-ethyl-3-methoxypropan-2-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)sulfinyl-N-ethyl-3-methoxypropan-2-amine (CID 107508721) is 1-(2,4-dimethylphenyl)sulfinyl-N-ethyl-3-methoxypropan-2-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)sulfinyl-N-ethyl-3-methoxypropan-2-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)sulfinyl-N-ethyl-3-methoxypropan-2-amine is CCNC(COC)CS(=O)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)sulfinyl-N-ethyl-3-methoxypropan-2-amine?
The InChIKey is YVIZBTARXYXISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-5-15-13(9-17-4)10-18(16)14-7-6-11(2)8-12(14)3/h6-8,13,15H,5,9-10H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)sulfinyl-N-ethyl-3-methoxypropan-2-amine?
1-(2,4-dimethylphenyl)sulfinyl-N-ethyl-3-methoxypropan-2-amine has a molecular weight of 269.41 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)sulfinyl-N-ethyl-3-methoxypropan-2-amine is sourced from PubChem (CID 107508721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).